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Details

Stereochemistry ACHIRAL
Molecular Formula C12H6Cl4O2
Molecular Weight 323.987
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3',5,5'-TETRACHLORO-4,4'-BIPHENYLDIOL

SMILES

OC1=C(Cl)C=C(C=C1Cl)C2=CC(Cl)=C(O)C(Cl)=C2

InChI

InChIKey=YCYDXOVJXVALHY-UHFFFAOYSA-N
InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H

HIDE SMILES / InChI

Molecular Formula C12H6Cl4O2
Molecular Weight 323.987
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006-11
Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity.
2004-12
Sulfation of hydroxychlorobiphenyls. Molecular cloning, expression, and functional characterization of zebrafish SULT1 sulfotransferases.
2003-06
Enzymatic degradation of 2,6-dichlorophenol by horseradish peroxidase: UV-visible and mass spectrometry characterization of the reaction products [corrected].
2002-09-30
Potent inhibition of estrogen sulfotransferase by hydroxylated PCB metabolites: a novel pathway explaining the estrogenic activity of PCBs.
2000-05
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:40:10 GMT 2025
Edited
by admin
on Mon Mar 31 20:40:10 GMT 2025
Record UNII
OHS8K6J04I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3',5,5'-TETRACHLORO-4,4'-BIPHENYLDIOL
Systematic Name English
NSC-97348
Preferred Name English
4,4'-BIPHENYLDIOL, 3,3',5,5'-TETRACHLORO-
Systematic Name English
3,3',5,5'-TETRACHLORO(1,1'-BIPHENYL)-4,4'-DIOL
Systematic Name English
(1,1'-BIPHENYL)-4,4'-DIOL, 3,3',5,5'-TETRACHLORO-
Systematic Name English
4,4'-DIHYDROXY-3,3',5,5'-TETRACHLOROBIPHENYL
Systematic Name English
Code System Code Type Description
CAS
13049-13-3
Created by admin on Mon Mar 31 20:40:10 GMT 2025 , Edited by admin on Mon Mar 31 20:40:10 GMT 2025
PRIMARY
CHEBI
35434
Created by admin on Mon Mar 31 20:40:10 GMT 2025 , Edited by admin on Mon Mar 31 20:40:10 GMT 2025
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PUBCHEM
97032
Created by admin on Mon Mar 31 20:40:10 GMT 2025 , Edited by admin on Mon Mar 31 20:40:10 GMT 2025
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DRUG BANK
DB03346
Created by admin on Mon Mar 31 20:40:10 GMT 2025 , Edited by admin on Mon Mar 31 20:40:10 GMT 2025
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EPA CompTox
DTXSID5022352
Created by admin on Mon Mar 31 20:40:10 GMT 2025 , Edited by admin on Mon Mar 31 20:40:10 GMT 2025
PRIMARY
FDA UNII
OHS8K6J04I
Created by admin on Mon Mar 31 20:40:10 GMT 2025 , Edited by admin on Mon Mar 31 20:40:10 GMT 2025
PRIMARY
NSC
97348
Created by admin on Mon Mar 31 20:40:10 GMT 2025 , Edited by admin on Mon Mar 31 20:40:10 GMT 2025
PRIMARY